Neutron and X-ray diffraction studies on the high temperature phase of Mn3(VO4)2, the new isostructural compound NaMn4(VO4)3 and their mixed crystals NaxMn4.5-x/2(VO4)3 (0 ≤ x ≤ 1)

被引：8

作者：

Clemens, Oliver ^{[1
]}

Haberkorn, Robert

Springborg, Michael ^{[2
]}

Beck, Horst Philipp ^{[1
]}

机构：

[1] Univ Saarland, Inst Anorgan & Analyt Chem & Radiochem, D-66125 Saarbrucken, Germany

[2] Univ Saarland, D-66123 Saarbrucken, Germany

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2012年 / 194卷

关键词：

Sodium manganese vanadate; Rietveld refinement; Density functional calculations; X-ray diffraction; Neutron diffraction; Stella quadrangula; MAGNETIC-PROPERTIES; STELLA-QUADRANGULA; VANADATES; LI; MN; CO;

D O I：

10.1016/j.jssc.2012.06.003

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

This paper presents a detailed structure analysis (combined Rietveld analysis of X-ray and neutron powder diffraction data as well as quantum mechanical calculations) of the high temperature phase of Mn-3(VO4)(2) (space group I (4) over bar 2d). Special attention is directed to the analysis of the local coordination around Mn2+ ions or vacancies within a stella quadrangula configuration of anions. Furthermore, the new compound NaMn4(VO4)(3) is described as well as a range of mixed crystals between NaMn4(VO4)(3) and Mn-3(VO4)(2) (described by the formula NaxMn4.5-x/2(VO4)(3), 0 <= x <= 1) which were synthesized by a solid state route. All compounds were shown to be isostructural to the high temperature phase Mn-3(VO4)(2). (C) 2012 Elsevier Inc. All rights reserved.

引用

页码：409 / 415

页数：7

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